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SMILES: COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)N1CCOCC1

InChI Key: InChIKey=QEKYGGNLNDNLFQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50482140   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))		BDBM50482140
PNG
(CHEMBL1096523)
Show SMILES COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H30ClN5O4S/c1-15-21(36-24(27-15)28-23(33)25(2,3)4)19-13-18(22(32)30-8-10-35-11-9-30)29-31(19)14-16-12-17(26)6-7-20(16)34-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Binding affinity to human CFTR F508 deletion mutant expressed in FRT cells assessed as increase in iodine influx after 16 to 20 hrs by fluorescence a...

J Med Chem 53: 3772-81 (2010)


Article DOI: 10.1021/jm100235h
BindingDB Entry DOI: 10.7270/Q2VD728K
More data for this
Ligand-Target Pair